Y62

2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide

Created:	2023-01-05
Last modified:	2024-09-27

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1 entries where Y62 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of Y62

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Chemical Component Summary
Name	2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-~{N}-(5-cyanopyridin-2-yl)-5-nitro-benzamide
Formula	C₁₃ H₇ Cl N₄ O₃
Molecular Weight	302.673
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccc(cn1)C#N)c1cc(ccc1Cl)[N+]([O-])=O
SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccc(cn2)C#N
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccc(cn2)C#N)Cl
Canonical SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccc(cn2)C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccc(cn2)C#N)Cl
InChI	InChI	1.06	InChI=1S/C13H7ClN4O3/c14-11-3-2-9(18(20)21)5-10(11)13(19)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17,19)
InChIKey	InChI	1.06	WLQNMMZWQLFUOW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	103646099

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